ADL: Double bonds in pdbqt file?

Lubberink, M. m.lubberink at student.rug.nl
Tue Jan 16 13:58:23 PST 2018


I am new to molecular docking and am a little bit stuck with the
preparation of the pdbqt ligand file.

I posted my problem on Researchgate:

https://www.researchgate.net/post/In_ligand_preparation_pdbqt_file_for_docking_with_Vina_why_do_C-C_double_bonds_disappear

Hopefully somebody can help me with this,

Thanks in advance,

Max


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